SCHEMBL18873889

SCHEMBL18873889

COc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.46
▸ SIGMAR1 Q99720 6/20 0.42
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ EBP Q15125 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ C5AR1 P21730 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18874043 0.87 LPAR1 (0.48) LPAR1SIGMAR1NPC1RAB9AEBP
SCHEMBL18874338 0.86 LPAR1 (0.47) LPAR1SIGMAR1NPC1RAB9AEBP
SCHEMBL18874186 0.86 LPAR1 (0.49) LPAR1SIGMAR1NPC1RAB9APOLB
SCHEMBL1561434 0.86 LPAR1 (0.61) LPAR1SIGMAR1NPC1RAB9AGAA
SCHEMBL18873947 0.86 LPAR1 (0.47) LPAR1SIGMAR1NPC1RAB9AEBP
SCHEMBL18874173 0.85 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9AEBP
SCHEMBL18874318 0.84 LPAR1 (0.46) LPAR1SIGMAR1NPC1RAB9AEBP
SCHEMBL18873914 0.84 POLB (0.48) LPAR1SIGMAR1ALDH1A1POLB
SCHEMBL1560217 0.81 LPAR1 (0.54) LPAR1SIGMAR1NPC1RAB9AGAA
SCHEMBL18874390 0.80 LPAR1 (0.51) LPAR1SIGMAR1NPC1RAB9AEBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP disclosed
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